SCHEMBL25853294

SCHEMBL25853294

c1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4cccc5cccc3c45)ccc2Oc2cc3ccccc3cc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.37
ATM Q13315 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HIF1A Q16665 1/20 0.34
PDK2 Q15119 9/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25850257 0.93 MAPK1 (0.42) MAPK1ATMKDM4EALDH1A1TSHR
SCHEMBL25851560 0.90 PDK2 (0.35) KDM4EALDH1A1HPGDPDK2MEN1
SCHEMBL25853554 0.89 MAPK1 (0.36) MAPK1ATMKDM4EALDH1A1TSHR
SCHEMBL25850256 0.89 MAPK1 (0.43) MAPK1ATMKDM4EALDH1A1TSHR
SCHEMBL25850255 0.87 KDM4E (0.38) MAPK1ATMKDM4EMEN1LMNA
SCHEMBL25852646 0.86 PDK2 (0.33) ALDH1A1HPGDPDK2MEN1USP2
SCHEMBL25853196 0.86 MEN1 (0.38) KDM4EALDH1A1HPGDPDK2MEN1
SCHEMBL25849945 0.86 MAPK1 (0.43) MAPK1ATMKDM4EALDH1A1TSHR
SCHEMBL25866435 0.86 PDK2 (0.38) PDK2
SCHEMBL25850250 0.86 KDM4E (0.38) MAPK1ATMKDM4EPDK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023120714-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-06-29 WO disclosed